Materials Data on Mn(PO5)2 by Materials Project

Abstract

Mn(PO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Mn(PO5)2 sheet oriented in the (-1, 0, 2) direction. Mn is bonded to six O atoms to form MnO6 octahedra that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.91 Å) and four longer (1.92 Å) Mn–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 39–46°. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Mn and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Mn atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Mn and one P atom.